2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C10H12N2O2 — CID 136696236

IUPAC2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1COCC2
InChIInChI=1S/C10H12N2O2/c13-10-7-5-14-4-3-8(7)11-9(12-10)6-1-2-6/h6H,1-5H2,(H,11,12,13)
InChIKeyVYNIOCBGTCPWGQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.72
Rot. Bonds1

About 2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696236) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696236
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1COCC2
InChIInChI=1S/C10H12N2O2/c13-10-7-5-14-4-3-8(7)11-9(12-10)6-1-2-6/h6H,1-5H2,(H,11,12,13)
InChIKeyVYNIOCBGTCPWGQ-UHFFFAOYSA-N
XLogP0.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696236) is 2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CC2)nc2c1COCC2.
What is the InChIKey of 2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is VYNIOCBGTCPWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10-7-5-14-4-3-8(7)11-9(12-10)6-1-2-6/h6H,1-5H2,(H,11,12,13).
What are the key properties of 2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 192.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).